SCHEMBL19785248

SCHEMBL19785248

CCCCC(CC)COC(=O)CCSc1ccnc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.50
▸ TSHR P16473 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CA2 P00918 2/20 0.43
▸ LMNA P02545 4/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ THRB P10828 3/20 0.33
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21154729 0.97 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21383708 0.91 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL31057983 0.91 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL29679787 0.90 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19785519 0.90 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19785269 0.90 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21383626 0.90 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21856067 0.89 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21154771 0.88 TSHR (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL21383772 0.88 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 — — US disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 — — EP disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 — — US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
CN-115052866-B Crystal form of nitrogen-containing heteroaromatic derivative free alkali 上海翰森生物医药科技有限公司 2024-06-25 — — CN disclosed
CN-115353509-B Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-12 — — CN disclosed
EP-4342891-A1 SPIRO COMPOUND AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2024-03-27 — — EP disclosed
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 — — CN disclosed
US-11827644-B2 Pyrazine derivative and application thereof in inhibiting SHP2 SUZHOU GENHOUSE PHARMACEUTICAL CO., LTD (CN) 2023-11-28 — — US disclosed
US-11827644-B2 Pyrazine derivative and application thereof in inhibiting SHP2 SUZHOU GENHOUSE PHARMACEUTICAL CO., LTD (CN) 2023-11-28 — — US disclosed
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-04-08 — — US disclosed
WO-2021061515-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2021-04-01 — — WO disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
EP-3768668-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2021-01-27 — — EP disclosed
CN-112166110-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2021-01-01 — — CN disclosed
CN-111295374-A Aza-containing aromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2020-06-16 — — CN disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 — — WO disclosed
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11827644-B2 Pyrazine derivative and application thereof in inhibiting SHP2 PTPN5, PTPN1, PTPN7 CYP3A4 2029/4885TSHR 494/4885TDP1 2621/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 CYP3A4 4794/4885TSHR 3144/4885TDP1 2083/4885
US-20210101870-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN22, PTPN2 CYP3A4 4174/4885TSHR 1870/4885TDP1 2479/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC CYP3A4 4849/4885TSHR 2929/4885TDP1 1648/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 CYP3A4 4794/4885TSHR 3144/4885TDP1 2083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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